Glycoside
GD120327
Name:
Tdp-Beta-L-RhamnoseFormula:
C16H26O16N2P2Smiles:
Cc1cn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C)C(O)C(O)C3O)C(O)C2O)c(=O)nc1OAglycone:
COP(=O)(O)OP(=O)(O)O.Cc1c[nH]c(=O)nc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.33 | Num_heavy_atoms: | 36 |
| TPSA: | 277.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD08955
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
